Phenylacetaldehyde diethyl acetal

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  • Identifiers

    CAS number
    6314-97-2

    Molecular formula
    C12H18O2

    SMILES
    CCOC(CC1=CC=CC=C1)OCC

  • Odor profile

    Green 91.34%
    Floral 76.81%
    Hyacinth 62.05%
    Sweet 56.77%
    Rose 55.2%
    Fresh 54.77%
    Leafy 54.0%
    Herbal 42.98%
    Earthy 39.17%
    Cortex 38.92%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.07 (neutral)

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 237.00 to 238.00 °C. @ 760.00 mm Hg

    Flash point est.
    93.94 ˚C

  • Synonyms

    • (2,2-Diethoxyethyl)benzene
    • 6314-97-2
    • Phenylacetaldehyde diethyl acetal
    • 2,2-diethoxyethylbenzene
    • Benzeneacetaldehyde, diethyl acetal
    • Benzene, (2,2-diethoxyethyl)-
    • Acetaldehyde, phenyl-, diethyl acetal
    • Phenylacetaldehyde diethylacetal
    • UNII-YUF33E133Y
    • 1,1-diethoxy-2-phenylethane
    • YUF33E133Y
    • EINECS 228-642-9
    • NSC 20031
    • NSC-20031
    • AI3-30257
    • DTXSID2052314
    • FEMA NO. 4625
    • PHENYLETHANAL DIETHYL ACETAL
    • Alleglal
    • Benzene,(2,2-diethoxyethyl)-
    • phenyl acetaldehyde diethyl acetal
    • MFCD00129694
    • Benzene,2-diethoxyethyl)-
    • Phenylacetaldehyd-diathylacetal
    • SCHEMBL113325
    • (2,2-Diethoxyethyl)benzene #
    • DTXCID9030886
    • (2,2-Diethoxyethyl)benzene, 9CI
    • NSC20031
    • AKOS006274654
    • AB86554
    • AS-76106
    • CS-0071553
    • NS00013129
    • Acetaldehyde, phenyl-, diethyl acetal (8CI)
    • VU0549280-1
    • D93518
    • EN300-265729
    • Q27294715
    • F9995-0066

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 929.21
    methanol 882.3
    isopropanol 657.54
    water 1.31
    ethyl acetate 832.56
    n-propanol 750.51
    acetone 846.51
    n-butanol 735.68
    acetonitrile 832.36
    DMF 722.45
    toluene 563.93
    isobutanol 577.17
    1,4-dioxane 1658.22
    methyl acetate 663.54
    THF 1445.7
    2-butanone 625.5
    n-pentanol 548.12
    sec-butanol 632.62
    n-hexane 426.56
    ethylene glycol 163.83
    NMP 796.2
    cyclohexane 936.94
    DMSO 1099.18
    n-butyl acetate 698.65
    n-octanol 291.45
    chloroform 4937.36
    n-propyl acetate 546.24
    acetic acid 986.49
    dichloromethane 4125.9
    cyclohexanone 1294.5
    propylene glycol 219.88
    isopropyl acetate 443.79
    DMAc 741.54
    2-ethoxyethanol 553.02
    isopentanol 543.84
    n-heptane 276.76
    ethyl formate 488.28
    1,2-dichloroethane 2116.55
    n-hexanol 634.28
    2-methoxyethanol 753.95
    isobutyl acetate 358.01
    tetrachloromethane 732.89
    n-pentyl acetate 391.31
    transcutol 1384.95
    n-heptanol 238.45
    ethylbenzene 320.38
    MIBK 302.85
    2-propoxyethanol 612.87
    tert-butanol 765.23
    MTBE 678.53
    2-butoxyethanol 347.89
    propionic acid 632.41
    o-xylene 325.07
    formic acid 225.84
    diethyl ether 1041.98
    m-xylene 299.29
    p-xylene 417.65
    chlorobenzene 913.38
    dimethyl carbonate 243.5
    n-octane 86.4
    formamide 277.28
    cyclopentanone 997.83
    2-pentanone 549.23
    anisole 486.29
    cyclopentyl methyl ether 819.18
    gamma-butyrolactone 1151.23
    1-methoxy-2-propanol 507.53
    pyridine 1404.5
    3-pentanone 540.73
    furfural 925.39
    n-dodecane 64.0
    diethylene glycol 414.55
    diisopropyl ether 264.2
    tert-amyl alcohol 588.66
    acetylacetone 547.79
    n-hexadecane 72.16
    acetophenone 439.13
    methyl propionate 541.92
    isopentyl acetate 524.94
    trichloroethylene 3038.01
    n-nonanol 257.07
    cyclohexanol 904.3
    benzyl alcohol 409.41
    2-ethylhexanol 392.95
    isooctanol 197.54
    dipropyl ether 667.27
    1,2-dichlorobenzene 801.03
    ethyl lactate 245.52
    propylene carbonate 771.24
    n-methylformamide 375.29
    2-pentanol 475.81
    n-pentane 312.62
    1-propoxy-2-propanol 489.67
    1-methoxy-2-propyl acetate 440.17
    2-(2-methoxypropoxy) propanol 338.41
    mesitylene 206.8
    ε-caprolactone 1019.92
    p-cymene 202.74
    epichlorohydrin 1354.22
    1,1,1-trichloroethane 1802.33
    2-aminoethanol 326.56
    morpholine-4-carbaldehyde 779.15
    sulfolane 1245.09
    2,2,4-trimethylpentane 101.07
    2-methyltetrahydrofuran 1164.52
    n-hexyl acetate 543.08
    isooctane 61.99
    2-(2-butoxyethoxy)ethanol 463.19
    sec-butyl acetate 349.89
    tert-butyl acetate 405.76
    decalin 219.7
    glycerin 274.12
    diglyme 911.38
    acrylic acid 534.89
    isopropyl myristate 236.31
    n-butyric acid 947.07
    acetyl acetate 602.81
    di(2-ethylhexyl) phthalate 200.73
    ethyl propionate 453.8
    nitromethane 927.45
    1,2-diethoxyethane 724.45
    benzonitrile 608.94
    trioctyl phosphate 146.16
    1-bromopropane 1364.86
    gamma-valerolactone 1029.89
    n-decanol 190.85
    triethyl phosphate 266.87
    4-methyl-2-pentanol 221.82
    propionitrile 720.99
    vinylene carbonate 749.84
    1,1,2-trichlorotrifluoroethane 970.29
    DMS 427.1
    cumene 207.78
    2-octanol 183.16
    2-hexanone 481.74
    octyl acetate 286.44
    limonene 337.07
    1,2-dimethoxyethane 1006.14
    ethyl orthosilicate 262.85
    tributyl phosphate 211.97
    diacetone alcohol 342.38
    N,N-dimethylaniline 329.47
    acrylonitrile 666.01
    aniline 604.59
    1,3-propanediol 455.38
    bromobenzene 1086.35
    dibromomethane 2823.82
    1,1,2,2-tetrachloroethane 2962.41
    2-methyl-cyclohexyl acetate 401.95
    tetrabutyl urea 260.39
    diisobutyl methanol 212.45
    2-phenylethanol 358.29
    styrene 450.89
    dioctyl adipate 344.2
    dimethyl sulfate 357.01
    ethyl butyrate 542.24
    methyl lactate 249.13
    butyl lactate 283.23
    diethyl carbonate 398.15
    propanediol butyl ether 288.65
    triethyl orthoformate 386.11
    p-tert-butyltoluene 191.1
    methyl 4-tert-butylbenzoate 340.66
    morpholine 1547.44
    tert-butylamine 608.85
    n-dodecanol 154.84
    dimethoxymethane 530.88
    ethylene carbonate 704.06
    cyrene 322.02
    2-ethoxyethyl acetate 418.25
    2-ethylhexyl acetate 447.06
    1,2,4-trichlorobenzene 864.06
    4-methylpyridine 1039.48
    dibutyl ether 547.73
    2,6-dimethyl-4-heptanol 212.45
    DEF 703.94
    dimethyl isosorbide 537.65
    tetrachloroethylene 2013.0
    eugenol 313.93
    triacetin 469.29
    span 80 353.09
    1,4-butanediol 232.64
    1,1-dichloroethane 1910.78
    2-methyl-1-pentanol 434.2
    methyl formate 324.66
    2-methyl-1-butanol 542.15
    n-decane 108.16
    butyronitrile 771.84
    3,7-dimethyl-1-octanol 276.33
    1-chlorooctane 309.54
    1-chlorotetradecane 134.75
    n-nonane 116.58
    undecane 78.47
    tert-butylcyclohexane 163.39
    cyclooctane 225.83
    cyclopentanol 722.57
    tetrahydropyran 1881.73
    tert-amyl methyl ether 469.68
    2,5,8-trioxanonane 621.73
    1-hexene 788.48
    2-isopropoxyethanol 399.53
    2,2,2-trifluoroethanol 329.61
    methyl butyrate 645.47

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction